============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 97 rings ring int. center anis. iso. TRP 4 1.040 19.481 9.933 -9.483 -99.200 -91.000 TRP6 4 1.020 17.560 8.777 -8.796 -99.200 -91.000 PHE 24 1.000 13.792 5.177 5.525 -99.200 -91.000 TRP 26 1.040 5.427 7.020 0.783 -99.200 -91.000 TRP6 26 1.020 5.606 4.965 -0.377 -99.200 -91.000 TYR 27 0.840 5.143 4.253 7.767 -99.200 -91.000 TYR 31 0.840 10.794 5.632 8.496 -99.200 -91.000 TYR 33 0.840 12.769 16.497 14.005 -99.200 -91.000 HIS 38 0.900 23.629 24.829 11.767 -99.200 -91.000 TYR 42 0.840 28.444 16.859 15.310 -99.200 -91.000 PHE 50 1.000 11.100 5.651 13.488 -99.200 -91.000 TYR 52 0.840 17.526 6.581 13.173 -99.200 -91.000 PHE 57 1.000 17.986 9.558 4.343 -99.200 -91.000 HIS 59 0.900 24.723 20.685 2.592 -99.200 -91.000 TRP 65 1.040 25.314 12.598 5.489 -99.200 -91.000 TRP6 65 1.020 26.513 14.537 6.100 -99.200 -91.000 PHE 71 1.000 17.409 -4.901 1.895 -99.200 -91.000 PHE 78 1.000 26.650 -20.172 14.064 -99.200 -91.000 TYR 89 0.840 23.639 -26.634 31.754 -99.200 -91.000 TYR 90 0.840 25.079 -23.131 24.165 -99.200 -91.000 HIS 92 0.900 30.762 -23.015 21.497 -99.200 -91.000 TRP 96 1.040 26.707 -31.663 27.372 -99.200 -91.000 TRP6 96 1.020 24.941 -31.449 25.829 -99.200 -91.000 PHE 116 1.000 8.773 -13.326 26.200 -99.200 -91.000 TRP 119 1.040 15.043 -19.924 27.028 -99.200 -91.000 TRP6 119 1.020 16.012 -20.970 28.924 -99.200 -91.000 HIS 123 0.900 27.161 -20.473 17.889 -99.200 -91.000 TYR 137 0.840 16.824 -24.780 14.140 -99.200 -91.000 TRP 143 1.040 23.782 -6.456 12.669 -99.200 -91.000 TRP6 143 1.020 22.185 -6.156 14.368 -99.200 -91.000 TRP 154 1.040 24.053 6.791 9.342 -99.200 -91.000 TRP6 154 1.020 23.148 4.608 9.218 -99.200 -91.000 HIS 156 0.900 31.561 10.823 16.644 -99.200 -91.000 TRP 163 1.040 37.367 7.810 -0.270 -99.200 -91.000 TRP6 163 1.020 35.253 6.854 -0.611 -99.200 -91.000 TRP 166 1.040 31.272 9.729 4.477 -99.200 -91.000 TRP6 166 1.020 30.985 7.983 2.907 -99.200 -91.000 TRP 179 1.040 26.646 4.834 5.559 -99.200 -91.000 TRP6 179 1.020 28.135 5.791 7.098 -99.200 -91.000 TYR 180 0.840 24.741 5.101 -2.100 -99.200 -91.000 TYR 181 0.840 33.107 12.003 -0.103 -99.200 -91.000 TYR 190 0.840 28.237 1.270 -3.134 -99.200 -91.000 HIS 192 0.900 26.905 -4.037 0.930 -99.200 -91.000 TYR 196 0.840 28.760 -7.164 5.189 -99.200 -91.000 HIS 203 0.900 28.573 -20.643 7.464 -99.200 -91.000 TRP 215 1.040 30.519 -26.802 10.498 -99.200 -91.000 TRP6 215 1.020 31.401 -26.373 8.350 -99.200 -91.000 TRP 217 1.040 29.673 -16.452 11.433 -99.200 -91.000 TRP6 217 1.020 28.417 -14.638 12.241 -99.200 -91.000 PHE 223 1.000 35.931 0.268 5.313 -99.200 -91.000 TYR 230 0.840 37.417 9.361 -3.948 -99.200 -91.000 TYR 236 0.840 25.900 5.798 -14.026 -99.200 -91.000 TRP 240 1.040 14.859 1.385 -6.549 -99.200 -91.000 TRP6 240 1.020 13.582 2.011 -8.441 -99.200 -91.000 TYR 248 0.840 28.520